N-(3-acetylphenyl)-2-chlorobenzamide

• ChemBase ID: 27498
• Molecular Formular: C15H12ClNO2
• Molecular Mass: 273.71428
• Monoisotopic Mass: 273.05565631
• SMILES: C(=O)(c1c(Cl)cccc1)Nc1cc(C(=O)C)ccc1
• Canonical SMILES: O=C(c1ccccc1Cl)Nc1cccc(c1)C(=O)C
• InChI: InChI=1S/C15H12ClNO2/c1-10(18)11-5-4-6-12(9-11)17-15(19)13-7-2-3-8-14(13)16/h2-9H,1H3,(H,17,19)
• InChIKey: ZONNVJGZQKZEGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-acetylphenyl)-2-chlorobenzamide
• IUPAC Traditional name: N-(3-acetylphenyl)-2-chlorobenzamide
• Synonyms: N-(3-Acetylphenyl)-2-chlorobenzamide

Database IDs

• MDL Number: MFCD00791183
• PubChem SID: 160990805
• PubChem CID: 732390

CALCULATED PROPERTIES

• Acid pKa: 10.494399
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2268186
• LogD (pH = 7.4): 3.226491
• Log P: 3.2268229
• Molar Refractivity: 76.7991 cm^3
• Polarizability: 28.554037 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false